About 4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride
4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride (PubChem CID 171688424) has the molecular formula C25H33Cl2N5O3
and a molecular weight of 522.48 g/mol. Its IUPAC name is 4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride.
Molecular Properties
| Compound Name | 4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride |
|---|
| PubChem CID | 171688424 |
|---|
| Molecular Formula | C25H33Cl2N5O3 |
|---|
| Molecular Weight | 522.48 g/mol |
|---|
| Exact Mass | 521.20 |
|---|
| IUPAC Name | 4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride |
|---|
| SMILES | CN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)c1ccc(OCCCN)cc1.Cl.Cl |
|---|
| InChI | InChI=1S/C25H31N5O3.2ClH/c1-29(24(31)19-5-7-20(8-6-19)33-17-3-12-26)18-25(32)10-15-30(16-11-25)22-9-14-27-21-4-2-13-28-23(21)22;;/h2,4-9,13-14,32H,3,10-12,15-18,26H2,1H3;2*1H |
|---|
| InChIKey | GQOFLZFSMIQVRD-UHFFFAOYSA-N |
|---|
| XLogP | 3.30 |
|---|
| TPSA | 104.81 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 522.48 |
| LogP ≤ 5 | 3.30 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Analyze 4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride?
The IUPAC name of 4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride (CID 171688424) is 4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride.
What is the SMILES notation for 4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride?
The canonical SMILES for 4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride is CN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)c1ccc(OCCCN)cc1.Cl.Cl.
What is the InChIKey of 4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride?
The InChIKey is GQOFLZFSMIQVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3.2ClH/c1-29(24(31)19-5-7-20(8-6-19)33-17-3-12-26)18-25(32)10-15-30(16-11-25)22-9-14-27-21-4-2-13-28-23(21)22;;/h2,4-9,13-14,32H,3,10-12,15-18,26H2,1H3;2*1H.
What are the key properties of 4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride?
4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride has a molecular weight of 522.48 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride is sourced from PubChem (CID 171688424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).